Crystallography Open Database

Information card for entry 7708933

Preview

Coordinates	7708933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Ca3 O22
Calculated formula	C24 H14 Ca3 O22
Title of publication	Three novel metal-organic frameworks with different coordination modes for trace detection of anthrax biomarkers.
Authors of publication	Cong, Zhenzhong; Zhu, Mingchang; Zhang, Ying; Yao, Wei; Kosinova, Marina; Fedin, Vladimir P.; Wu, Shuangyan; Gao, Enjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	250 - 256
a	7.9374 ± 0.0002 Å
b	22.5281 ± 0.0005 Å
c	19.6837 ± 0.0005 Å
α	90°
β	92.98 ± 0.001°
γ	90°
Cell volume	3514.97 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272647 (current)	2022-02-04	cif/ Updating files of 7708932, 7708933, 7708934 Original log message: Adding full bibliography for 7708932--7708934.cif.	7708933.cif
270882	2021-11-26	cif/ Adding structures of 7708932, 7708933, 7708934 via cif-deposit CGI script.	7708933.cif